Execution Time0.79s

Test: UNRES_M_CHECKGRAD_prota (Failed)
Build: devel Linux-ifort-MPI E0LL2Y (dell15) on 2020-04-03 03:47:53
Repository revision: 05c1789531ec3f44dfebf41b426cb1204329e7ff

Exit Value1

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Test output
CTEST_FULL_OUTPUT
Bye Bye...
Bye Bye...
 2  
 2  
    
    
 JESTEM
 JESTEM
 JESTEM
 JESTEM
 JESTEM
 JESTEM
  0.000000000000000E+000  0.000000000000000E+000
          45          46          47
   1.97500000000000       -2.01700000000000     
          45          46          47
 -0.872000000000000       -3.21600000000000     
          45          46          47
   3.16900000000000       0.434000000000000     
  0.000000000000000E+000  0.000000000000000E+000
           2           3           4
  0.915000000000000       -1.55200000000000     
           2           3           4
   3.31600000000000        2.11600000000000     
           2           3           4
  -1.55800000000000        2.75900000000000     
 indpdb=          16  pdbref= T
  0.000000000000000E+000  0.000000000000000E+000
          45          46          47
   1.97500000000000       -2.01700000000000     
          45          46          47
 -0.872000000000000       -3.21600000000000     
          45          46          47
   3.16900000000000       0.434000000000000     
  0.000000000000000E+000  0.000000000000000E+000
           2           3           4
  0.915000000000000       -1.55200000000000     
           2           3           4
   3.31600000000000        2.11600000000000     
           2           3           4
  -1.55800000000000        2.75900000000000     
 ns=           0
 Call Read_Bridge.
 ns=           0
Calling CHECK_ECARTINT   1.000D-04
           0
           1
           2
           3
           4
           5
           6
           7
           8
           9
          10
          11
          12
          13
          14
          15
          16
          17
          18
          19
          20
          21
          22
          23
          24
          25
          26
          27
          28
          29
          30
          31
          32
          33
          34
          35
          36
          37
          38
          39
          40
          41
          42
          43
          44
          45
          46
          47
          48
 Processor           1  CG group           0  absolute rank           1 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
  2.684593200683594E-004  order[           1 ]  0.000000000000000E+000  order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]  0.000000000000000E+000  order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  1.602411270141602E-003  order[
           8 ]  0.000000000000000E+000  order[           9 ]
  0.000000000000000E+000  order[          10 ]  0.000000000000000E+000
 Total wall clock time  0.613964080810547       sec
 Processor           0  BROADCAST time  1.050233840942383E-003  REDUCE time
  9.555816650390625E-004  GATHER time  0.000000000000000E+000  SCATTER time
  0.000000000000000E+000  SENDRECV  0.000000000000000E+000  BARRIER ene
  6.809234619140625E-004  BARRIER grad  1.907348632812500E-006
CG processor   0 is finishing work.
Largest abs(1-numerical/analytical)=  43.4389
Sorted:
   1 -4.24389E+01
   2 -1.94685E+01
   3 -1.79644E+01
   4 -1.35972E+01
   5 -9.88208E+00
   6 -8.65463E+00
   7 -7.93330E+00
   8 -6.25170E+00
   9 -6.17228E+00
  10 -5.91733E+00
  11 -4.19009E+00
  12 -4.13772E+00
  13 -3.67835E+00
  14 -3.66249E+00
  15 -3.33457E+00
  16 -3.26574E+00
  17 -2.54293E+00
  18 -2.06950E+00
  19 -2.04181E+00
  20 -1.74579E+00
  21 -1.70979E+00
  22 -1.57673E+00
  23 -1.54503E+00
  24 -1.53277E+00
  25 -1.48943E+00
  26 -1.46196E+00
  27 -1.39611E+00
  28 -1.37639E+00
  29 -1.31002E+00
  30 -1.23106E+00
  31 -1.20605E+00
  32 -9.79646E-01
  33 -9.20914E-01
  34 -8.92162E-01
  35 -8.21548E-01
  36 -5.08909E-01
  37 -4.68602E-01
  38 -4.67569E-01
  39 -4.64514E-01
  40 -3.66789E-01
  41 -2.82057E-01
  42 -2.74417E-01
  43 -2.70134E-01
  44 -1.66239E-01
  45 -5.48971E-02
  46  4.14868E-02
  47  7.80383E-02
  48  9.23422E-02
  49  1.43228E-01
  50  1.55639E-01
  51  1.68419E-01
  52  1.69876E-01
  53  1.75223E-01
  54  1.89206E-01
  55  2.12452E-01
  56  2.50266E-01
  57  3.15053E-01
  58  3.48076E-01
  59  3.51679E-01
  60  3.66680E-01
  61  4.07127E-01
  62  4.27184E-01
  63  4.34026E-01
  64  4.50537E-01
  65  4.96576E-01
  66  5.02014E-01
  67  5.22542E-01
  68  5.38934E-01
  69  5.51801E-01
  70  5.63228E-01
  71  5.71225E-01
  72  6.05813E-01
  73  6.18146E-01
  74  6.38868E-01
  75  6.40929E-01
  76  6.51742E-01
  77  6.52112E-01
  78  6.76381E-01
  79  6.77403E-01
  80  6.97260E-01
  81  7.14357E-01
  82  7.35405E-01
  83  7.44464E-01
  84  7.47351E-01
  85  7.55232E-01
  86  7.90743E-01
  87  8.13297E-01
  88  8.38289E-01
  89  8.51516E-01
  90  8.96565E-01
  91  9.01456E-01
  92  9.05997E-01
  93  9.21660E-01
  94  9.59090E-01
  95  9.62792E-01
  96  9.63163E-01
  97  9.64210E-01
  98  9.77546E-01
  99  9.99228E-01
 100  9.99976E-01
 101  9.99985E-01
 102  9.99988E-01
 103  9.99991E-01
 104  9.99991E-01
 105  9.99993E-01
 106  9.99993E-01
 107  9.99995E-01
 108  9.99996E-01
 109  9.99997E-01
 110  9.99997E-01
 111  9.99997E-01
 112  9.99997E-01
 113  9.99997E-01
 114  9.99997E-01
 115  9.99998E-01
 116  9.99998E-01
 117  9.99998E-01
 118  9.99998E-01
 119  9.99998E-01
 120  9.99998E-01
 121  9.99998E-01
 122  9.99998E-01
 123  9.99998E-01
 124  9.99998E-01
 125  9.99999E-01
 126  9.99999E-01
 127  9.99999E-01
 128  9.99999E-01
 129  9.99999E-01
 130  9.99999E-01
 131  9.99999E-01
 132  9.99999E-01
 133  9.99999E-01
 134  9.99999E-01
 135  9.99999E-01
 136  9.99999E-01
 137  9.99999E-01
 138  9.99999E-01
 139  9.99999E-01
 140  9.99999E-01
 141  9.99999E-01
 142  9.99999E-01
 143  9.99999E-01
 144  9.99999E-01
 145  9.99999E-01
 146  9.99999E-01
 147  9.99999E-01
 148  9.99999E-01
 149  9.99999E-01
 150  1.00000E+00
 151  1.00000E+00
 152  1.00000E+00
 153  1.00000E+00
 154  1.00000E+00
 155  1.00000E+00
 156  1.00000E+00
 157  1.00000E+00
 158  1.00000E+00
 159  1.00000E+00
 160  1.00000E+00
 161  1.00000E+00
 162  1.00000E+00
 163  1.00000E+00
 164  1.00000E+00
 165  1.00000E+00
 166  1.00000E+00
 167  1.00000E+00
 168  1.00000E+00
 169  1.00000E+00
 170  1.00000E+00
 171  1.00000E+00
 172  1.00000E+00
 173  1.00000E+00
 174  1.00000E+00
 175  1.00000E+00
 176  1.00000E+00
 177  1.00000E+00
 178  1.00000E+00
 179  1.00000E+00
 180  1.00000E+00
 181  1.00000E+00
 182  1.00000E+00
 183  1.00000E+00
 184  1.00000E+00
 185  1.00000E+00
 186  1.00000E+00
 187  1.00000E+00
 188  1.00000E+00
 189  1.00000E+00
 190  1.00000E+00
 191  1.00000E+00
 192  1.00000E+00
 193  1.00000E+00
 194  1.00000E+00
 195  1.00000E+00
 196  1.00000E+00
 197  1.00000E+00
 198  1.00000E+00
 199  1.00000E+00
 200  1.00000E+00
 201  1.00000E+00
 202  1.00000E+00
 203  1.00000E+00
 204  1.00000E+00
 205  1.00000E+00
 206  1.00000E+00
 207  1.00000E+00
 208  1.00000E+00
 209  1.00000E+00
 210  1.00000E+00
 211  1.00000E+00
 212  1.00000E+00
 213  1.00000E+00
 214  1.00000E+00
 215  1.00000E+00
 216  1.00000E+00
 217  1.00000E+00
 218  1.00000E+00
 219  1.00000E+00
 220  1.00000E+00
 221  1.00000E+00
 222  1.00000E+00
 223  1.00000E+00
 224  1.00000E+00
 225  1.00000E+00
 226  1.00000E+00
 227  1.00001E+00
 228  1.00001E+00
 229  1.00001E+00
 230  1.00001E+00
 231  1.00001E+00
 232  1.00002E+00
 233  1.00002E+00
 234  1.00004E+00
 235  1.00175E+00
 236  1.00176E+00
 237  1.00180E+00
 238  1.01037E+00
 239  1.01042E+00
 240  1.01435E+00
 241  1.02110E+00
 242  1.03300E+00
 243  1.03936E+00
 244  1.07874E+00
 245  1.13644E+00
 246  1.14120E+00
 247  1.17858E+00
 248  1.18109E+00
 249  1.22162E+00
 250  1.39231E+00
 251  1.57214E+00
 252  1.59593E+00
 253  1.64032E+00
 254  1.65906E+00
 255  1.72809E+00
 256  1.77039E+00
 257  1.88370E+00
 258  1.92349E+00
 259  1.97080E+00
 260  1.97250E+00
 261  2.02880E+00
 262  2.03741E+00
 263  2.13664E+00
 264  2.16259E+00
 265  2.16275E+00
 266  2.22445E+00
 267  2.28131E+00
 268  2.30638E+00
 269  2.44149E+00
 270  3.13913E+00
 271  3.47595E+00
 272  5.83885E+00
 273  6.62466E+00
 274  8.24833E+00
 275  8.27431E+00
 276  1.00393E+01
 277  1.46143E+01
 278  1.56182E+01
 279  2.43390E+01
ERROR largest abs(1-numerical/analytical) 43.4389000000
 greater than 0.025